UCSF

ZINC20896837

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 34 No

Popular Name: 6-(4-methoxyphenyl)-1-methyl-5-(1-methyl-4-oxo-6-pyrrol-1-yl-2-thioxo-pyrimidin-5-yl)-2-thioxo-7H-py 6-(4-methoxyphenyl)-1-methyl-5-(…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 9.22 -59.66 2 9 -1 109 491.578 4 ↓
Ref Reference (pH 7) 1.82 9.94 -32.4 2 9 0 105 492.586 4 ↓
Hi High (pH 8-9.5) 2.28 7.52 -105.27 0 9 -2 106 490.57 4 ↓
Mid Mid (pH 6-8) 2.28 7.93 -69.27 1 9 -1 108 491.578 4 ↓
Mid Mid (pH 6-8) 2.09 9.32 -48.93 1 9 -1 100 491.578 4 ↓
Mid Mid (pH 6-8) 2.09 9.73 -54.07 2 9 0 101 492.586 4 ↓
Mid Mid (pH 6-8) 1.63 11.75 -41.82 3 9 1 98 493.594 4 ↓
Mid Mid (pH 6-8) 2.03 11.6 -22.16 3 9 0 106 492.586 4 ↓
Mid Mid (pH 6-8) 2.95 7.35 -127.28 1 9 -2 112 490.57 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.